02788nam 2200637 a 450 991081279870332120200520144314.00-19-191661-71-280-96503-70-19-151366-01-4294-5992-1(CKB)1000000000471516(EBL)415189(OCoLC)437093041(SSID)ssj0000127942(PQKBManifestationID)11147640(PQKBTitleCode)TC0000127942(PQKBWorkID)10052529(PQKB)10278018(MiAaPQ)EBC415189(StDuBDS)EDZ0002351313(Au-PeEL)EBL415189(CaPaEBR)ebr10271468(CaONFJC)MIL96503(EXLCZ)99100000000047151620060914d2006 uy 0engur|n|---|||||txtccrComputer simulations of dislocations /Vasily V. Bulatov, Wei Cai1st ed.Oxford ;New York Oxford University Press20061 online resource (301 p.)Oxford series on materials modelling ;3Previously issued in print: 2006.0-19-967406-X 0-19-852614-8 Includes bibliographical references (p. [275]-280) and index.Contents; 1 Introduction to Crystal Dislocations; 1.1 Perfect Crystal Structures; 1.2 The Concept of Crystal Dislocations; 1.3 Motion of a Crystal Dislocation; I: ATOMISTIC MODELS; 2 Fundamentals of Atomistic Simulations; 3 Case Study of Static Simulation; 4 Case Study of Dynamic Simulation; 5 More about Periodic Boundary Conditions; 6 Free-energy Calculations; 7 Finding Transition Pathways; II: CONTINUUM MODELS; 8 Peierls-Nabarro Model of Dislocations; 9 Kinetic Monte Carlo Method; 10 Line Dislocation Dynamics; 11 Phase Field Method; Bibliography; Subject Index; A; B; C; D; E; F; G; H; I; KLM; O; P; R; S; T; V; W; Y; ZPresenting a variety of methods for computer simulations of crystal defects in the form of 'numerical recipes', complete with computer codes and analysis tools, this text provides a useful starter kit for further method development in the computational materials sciences.Oxford series on materials modelling ;3.Dislocations in crystalsComputer simulationDislocations in crystalsComputer simulation.548/.842Bulatov Vasily V1595758Cai Wei1977-21811MiAaPQMiAaPQMiAaPQBOOK9910812798703321Computer simulations of dislocations3916832UNINA